1-{1-[5-(propan-2-yl)-1,2-oxazole-3-carbonyl]azetidin-3-yl}piperidine

• ChemBase ID: 828967
• Molecular Formular: C15H23N3O2
• Molecular Mass: 277.36202
• Monoisotopic Mass: 277.17902699
• SMILES: c1(C(=O)N2CC(C2)N2CCCCC2)noc(c1)C(C)C
• Canonical SMILES: CC(c1onc(c1)C(=O)N1CC(C1)N1CCCCC1)C
• InChI: InChI=1S/C15H23N3O2/c1-11(2)14-8-13(16-20-14)15(19)18-9-12(10-18)17-6-4-3-5-7-17/h8,11-12H,3-7,9-10H2,1-2H3
• InChIKey: WQMRTOHQHCAQRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{1-[5-(propan-2-yl)-1,2-oxazole-3-carbonyl]azetidin-3-yl}piperidine
• IUPAC Traditional name: 1-[1-(5-isopropyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]piperidine
• Synonyms: 1-{1-[(5-isopropyl-3-isoxazolyl)carbonyl]-3-azetidinyl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.08941921
• LogD (pH = 7.4): 1.6219796
• Log P: 1.8659433
• Molar Refractivity: 78.0074 cm^3
• Polarizability: 29.419521 Å^3
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.48
• LOG S: -1.63
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 3